SCHEMBL5495552

SCHEMBL5495552

[c]1cc(OCC2CCCCC2)ccc1OCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
PARP10 Q53GL7 8/20 0.49
PARP15 Q460N3 7/20 0.49
PARP2 Q9UGN5 1/20 0.43
HPGD P15428 2/20 0.42
PDK2 Q15119 1/20 0.41
GRM2 Q14416 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15474659 0.82 PARP10 (0.39) MAOAMAOBPARP10PARP15
SCHEMBL15474975 0.82 SLC6A4 (0.44) MAOAMAOBPARP10PARP15
SCHEMBL4725550 0.77 SLC6A4 (0.39) PARP10PARP15PARP2
SCHEMBL15474826 0.75 MAOA (0.48) MAOAMAOBPARP10PARP15
SCHEMBL1986158 0.75 MCHR1 (0.41) MAOAMAOBPARP10PARP15
SCHEMBL5670818 0.73 MAOA (0.49) MAOAMAOBPARP10PARP15PDK2
SCHEMBL27990778 0.72 HTR2A (0.38) PARP10PARP15PARP2
SCHEMBL4726241 0.72 MCHR1 (0.40) MAOAMAOBPARP10PARP15
SCHEMBL2325848 0.72 PARP15 (0.44) MAOAMAOBPARP10PARP15PARP2
SCHEMBL21579020 0.72 PARP10 (0.58) MAOAMAOBPARP10PARP15PARP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760947-B1 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORP (JP) 2015-11-04 EP disclosed
US-8939543-B2 Inkjet ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2015-01-27 US disclosed
EP-2760947-A2 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM Corporation (JP) 2014-08-06 EP disclosed
US-20140204149-A1 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-07-24 US disclosed
WO-2013046679-A2 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2013-04-04 WO disclosed
US-20070081062-A1 Ink set and inkjet image recording method FUJI PHOTO FILM CO., LTD. 2007-04-12 US disclosed
US-20040220054-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-11-04 US disclosed
EP-1473591-A1 Recording material FUJI PHOTO FILM CO., LTD. (JP) 2004-11-03 EP disclosed